4RG
Summary
| Name: | 3-(phenoxymethyl)benzoic acid |
| Formula: | C14 H12 O3 |
| Formal charge: | 0 |
| Formula weight: | 228.243 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 3-(phenoxymethyl)benzoic acid |
| OpenEye OEToolkits | 1.7.2 | 3-(phenoxymethyl)benzoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)c1cccc(c1)COc2ccccc2 |
| InChI | InChI | 1.03 | InChI=1S/C14H12O3/c15-14(16)12-6-4-5-11(9-12)10-17-13-7-2-1-3-8-13/h1-9H,10H2,(H,15,16) |
| InChIKey | InChI | 1.03 | URLYREZIPSJJQU-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | OC(=O)c1cccc(COc2ccccc2)c1 |
| SMILES | CACTVS | 3.370 | OC(=O)c1cccc(COc2ccccc2)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | c1ccc(cc1)OCc2cccc(c2)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.2 | c1ccc(cc1)OCc2cccc(c2)C(=O)O |
